5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid

C15H20N2O3 — CID 110482682

IUPAC5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
SMILESO=C(O)CCCC(=O)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c18-14(7-4-8-15(19)20)16-12-9-10-17(11-12)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11H2,(H,16,18)(H,19,20)
InChIKeyDELMBPFAQUTFGD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.64
Rot. Bonds6

About 5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid

5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid (PubChem CID 110482682) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
PubChem CID110482682
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
SMILESO=C(O)CCCC(=O)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c18-14(7-4-8-15(19)20)16-12-9-10-17(11-12)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11H2,(H,16,18)(H,19,20)
InChIKeyDELMBPFAQUTFGD-UHFFFAOYSA-N
XLogP1.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylpyrrolidin-3-yl)pentanamide
CID 110479420
7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide
CID 119861676
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888744
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146
2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid
CID 119125137
N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide
CID 97255932
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
CID 110480296
N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119876236
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid?
The IUPAC name of 5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid (CID 110482682) is 5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid is O=C(O)CCCC(=O)NC1CCN(c2ccccc2)C1.
What is the InChIKey of 5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid?
The InChIKey is DELMBPFAQUTFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(7-4-8-15(19)20)16-12-9-10-17(11-12)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11H2,(H,16,18)(H,19,20).
What are the key properties of 5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid?
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid is sourced from PubChem (CID 110482682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).